(E)-but-2-enedioic acid; (S)-[(2S)-1-methylpyrrolidin-2-yl]-phenyl-methanol

Systemtic Name: (E)-but-2-enedioic acid; (S)-[(2S)-1-methylpyrrolidin-2-yl]-phenyl-methanol Openeye Name: fumaric acid; (S)-[(2S)-1-methylpyrrolidin-2-yl]-phenyl-methanol CAS Name: (E)-2-butenedioic acid; (S)-[(2S)-1-methyl-2-pyrrolidinyl]-phenylmethanol IUPAC Name: (E)-but-2-enedioic acid; (S)-[(2S)-1-methylpyrrolidin-2-yl]-phenylmethanol Traditional Name: fumaric acid; (S)-[(2S)-1-methylpyrrolidin-2-yl]-phenyl-methanol Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C(C2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC[C@H]1[C@H](C2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17NO.C4H4O4/c1-13-9-5-8-11(13)12(14)10-6-3-2-4-7-10;5-3(6)1-2-4(7)8/h2-4,6-7,11-12,14H,5,8-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t11-,12-;/m0./s1